4-(4-phenethylsulfonylpiperazin-1-yl)-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-(4-phenethylsulfonylpiperazin-1-yl)-6-piperidin-1-yl-pyrimidine Openeye Name: 4-(4-phenethylsulfonylpiperazin-1-yl)-6-(1-piperidyl)pyrimidine CAS Name: 4-(4-phenethylsulfonyl-1-piperazinyl)-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-(4-phenethylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine Traditional Name: 4-(4-phenethylsulfonylpiperazino)-6-piperidino-pyrimidine Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C21H29N5O2S/c27-29(28,16-9-19-7-3-1-4-8-19)26-14-12-25(13-15-26)21-17-20(22-18-23-21)24-10-5-2-6-11-24/h1,3-4,7-8,17-18H,2,5-6,9-16H2